N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide

C8H8N2O2 — CID 156600118

IUPACN-(2-oxo-1H-pyridin-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C8H8N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h2-5H,1H2,(H,9,12)(H,10,11)
InChIKeySMHOVWUQCDSHEY-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.50
Rot. Bonds2

About N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide

N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide (PubChem CID 156600118) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-3-yl)prop-2-enamide
PubChem CID156600118
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC NameN-(2-oxo-1H-pyridin-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C8H8N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h2-5H,1H2,(H,9,12)(H,10,11)
InChIKeySMHOVWUQCDSHEY-UHFFFAOYSA-N
XLogP0.50
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide?
The IUPAC name of N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide (CID 156600118) is N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide is C=CC(=O)Nc1ccc[nH]c1=O.
What is the InChIKey of N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide?
The InChIKey is SMHOVWUQCDSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h2-5H,1H2,(H,9,12)(H,10,11).
What are the key properties of N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide?
N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide has a molecular weight of 164.16 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 156600118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).